SCHEMBL25675

SCHEMBL25675

[NH]C(=O)Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.64
CES2 O00748 1/20 0.64
AKR1B1 P15121 1/20 0.64
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52
EPHX2 P34913 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
CTBP2 P56545 1/20 0.50
PAM P19021 2/20 0.48
TSHR P16473 2/20 0.48
ABCC4 O15439 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
PTGS1 P23219 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3506116 0.86 LMNA (0.69) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL11212239 0.82 CA2 (0.62) AKR1B1MEN1KMT2AALDH1A1TSHR
SCHEMBL6156467 0.81 ALOX5 (0.65) HDAC6LMNAPTGS1
SCHEMBL77563 0.78 CES1 (0.70) CES1CES2AKR1B1MEN1KMT2A
Phenylacetic Acid SCHEMBL9449909 0.78 AKR1B1 (1.00) CES1CES2AKR1B1MEN1KMT2A
Phenylacetic Acid SCHEMBL1459 0.78 AKR1B1 (1.00) CES1CES2AKR1B1MEN1KMT2A
Phenylacetic Acid SCHEMBL1330777 0.78 AKR1B1 (1.00) CES1CES2AKR1B1MEN1KMT2A
Phenylacetic Acid SCHEMBL13618842 0.78 AKR1B1 (1.00) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL574185 0.78 CES1 (1.00) CES1CES2AKR1B1MEN1KMT2A
Phenylacetic Acid SCHEMBL27758886 0.78 AKR1B1 (1.00) CES1CES2AKR1B1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 4732 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113563365-B Preparation method of 7-amino-3-methoxy-4-cephalosporanic acid 华中药业股份有限公司 2024-05-28 CN claimed
WO-2024068519-A1 3-(HETERO)ARYL-5-CHLORODIFLUOROMETHYL-1,2,4-OXADIAZOLE AS FUNGICIDE BAYER AKTIENGESELLSCHAFT (DE) 2024-04-04 WO claimed
WO-2024068520-A1 3-(HETERO)ARYL-5-CHLORODIFLUOROMETHYL-1,2,4-OXADIAZOLE AS FUNGICIDE BAYER AKTIENGESELLSCHAFT (DE) 2024-04-04 WO claimed
CN-116589482-A Metal beta-lactamase fluorescent probe and preparation method and application thereof 南京工业大学 2023-08-15 CN claimed
EP-3500570-B1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARM INC (US) 2022-10-05 EP claimed
CN-113416200-B Bistable electrochromic fluoran dye and preparation method of device thereof 江南大学 2022-08-02 CN claimed
CN-111718361-B Metal beta-lactamase inhibitor and preparation method and application thereof 南京工业大学 2022-04-05 CN claimed
CN-109952301-B 5-HT2C receptor agonists and compositions and methods of use 艾尼纳制药公司 2022-03-25 CN claimed
US-10836764-B2 5-HT2C receptor agonists and compositions and methods of use ARENA PHARMACEUTICALS, INC. (US) 2020-11-17 US claimed
CN-111718361-A Metal beta-lactamase inhibitor and preparation method and application thereof 南京工业大学 2020-09-29 CN claimed
US-4042585-A Process for preparation of 3-halomethylcephems ELI LILLY AND COMPANY (US) 1977-08-16 US claimed
US-4038275-A PROCESS FOR PREPARATION OF 3-HYDROXYMETHYLCEPHEMS ELI LILLY AND COMPANY (US) 1977-07-26 US claimed
US-4031084-A Process for cephalosporin antibiotic intermediates ELI LILLY AND COMPANY (US) 1977-06-21 US claimed
US-4022773-A 7-ACYLAMINO-3-SUBSTITUTED-3-CEPHEM-4-CARBOXYLIC ACIDS, 1-OXIDES ISHIMARU TOSHIYASU 1977-05-10 US claimed
US-4014892-A ANTHELMINTICS AMERICAN CYANAMID COMPANY (US) 1977-03-29 US claimed
US-4009159-A PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-02-22 US claimed
US-3989685-A FROM PENICILLIN-1-OXIDE SHINOGI & CO., LTD. (JA) 1976-11-02 US claimed
US-3954732-A BACTERICIDAL PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-05-04 US claimed
US-3951951-A Azetidinones BEECHAM GROUP LIMITED (EN) 1976-04-20 US claimed
US-3950347-A NAPHTHOLACTAM DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-13 US claimed